SCHEMBL4806490

SCHEMBL4806490

O=C(NO)c1cc2ncn(Cc3cccc(F)c3F)c2cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.45
PPARG P37231 4/20 0.43
HDAC1 Q13547 5/20 0.41
FLT3 P36888 3/20 0.39
HSD17B13 Q7Z5P4 1/20 0.38
EPHX2 P34913 1/20 0.38
MMP13 P45452 1/20 0.37
IDO1 P14902 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAOB P27338 1/20 0.36
MET P08581 1/20 0.36
KDR P35968 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2952596 0.88 PPARG (0.43) HDAC6PPARGHSD17B13EPHX2MMP13
SCHEMBL1684135 0.88 PPARG (0.43) HDAC6PPARGHDAC1FLT3HSD17B13
SCHEMBL2948409 0.86 PPARG (0.44) HDAC6PPARGHSD17B13EPHX2MMP13
SCHEMBL2948098 0.85 PPARG (0.41) HDAC6PPARGHSD17B13EPHX2MMP13
SCHEMBL2945762 0.83 PPARG (0.51) HDAC6PPARGHDAC1MMP13HDAC8
SCHEMBL2948441 0.83 PPARG (0.39) HDAC6PPARGHSD17B13EPHX2MMP13
SCHEMBL4805639 0.80 HDAC1 (0.52) HDAC6HDAC1FLT3MMP13IDO1
SCHEMBL1684141 0.77 HDAC6 (0.53) HDAC6PPARGHDAC1FLT3MMP13
SCHEMBL2943380 0.72 MAOB (0.40) HDAC6HDAC1HDAC8MAOBKDR
SCHEMBL1608357 0.72 PPARG (0.57) HDAC6PPARGHDAC1FLT3HSD17B13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US claimed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP claimed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US claimed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO claimed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
US-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP HDAC6 1926/4885PPARG 4290/4885HDAC1 626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.